5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

C20H15N5O2S2 — CID 27373024

IUPAC5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCSc1ccc(-c2noc(Cn3ccn4nc(-c5cccs5)cc4c3=O)n2)cc1
InChIInChI=1S/C20H15N5O2S2/c1-28-14-6-4-13(5-7-14)19-21-18(27-23-19)12-24-8-9-25-16(20(24)26)11-15(22-25)17-3-2-10-29-17/h2-11H,12H2,1H3
InChIKeyRCNLBAJKICOSMW-UHFFFAOYSA-N
MW421.51 g/mol
LogP4.04
Rot. Bonds5

About 5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one

5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27373024) has the molecular formula C20H15N5O2S2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID27373024
Molecular FormulaC20H15N5O2S2
Molecular Weight421.51 g/mol
Exact Mass421.07
IUPAC Name5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one
SMILESCSc1ccc(-c2noc(Cn3ccn4nc(-c5cccs5)cc4c3=O)n2)cc1
InChIInChI=1S/C20H15N5O2S2/c1-28-14-6-4-13(5-7-14)19-21-18(27-23-19)12-24-8-9-25-16(20(24)26)11-15(22-25)17-3-2-10-29-17/h2-11H,12H2,1H3
InChIKeyRCNLBAJKICOSMW-UHFFFAOYSA-N
XLogP4.04
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one (CID 27373024) is 5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is CSc1ccc(-c2noc(Cn3ccn4nc(-c5cccs5)cc4c3=O)n2)cc1.
What is the InChIKey of 5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RCNLBAJKICOSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S2/c1-28-14-6-4-13(5-7-14)19-21-18(27-23-19)12-24-8-9-25-16(20(24)26)11-15(22-25)17-3-2-10-29-17/h2-11H,12H2,1H3.
What are the key properties of 5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one?
5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 421.51 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27373024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).